Information card for entry 4315955

Structure parameters

• Formula: C15 H23 Cl Co N3
• Calculated formula: C15 H23 Cl Co N3
• SMILES: [Co]12(Cl)[N](=C(C)c3[n]1c(ccc3)C(=[N]2C(C)C)C)C(C)C
• Title of publication: Reduced N-Alkyl Substituted Bis(imino)pyridine Cobalt Complexes: Molecular and Electronic Structures for Compounds Varying by Three Oxidation States
• Authors of publication: Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Emil Lobkovsky; Thomas Weyhermüller; Karl Wieghardt; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6110 - 6123
• a: 7.7384 ± 0.0003 Å
• b: 11.3479 ± 0.0005 Å
• c: 18.1263 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.75 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No